SCHEMBL13859313

SCHEMBL13859313

COc1ccc(NC(=O)C(C#N)=CC2CC2)cc1Nc1ncc(F)c(Sc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.47
▸ PTK2 Q05397 2/20 0.45
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ PRKCA P17252 1/20 0.39
▸ JAK3 P52333 1/20 0.38
▸ ITK Q08881 1/20 0.38
▸ ALK Q9UM73 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13859312 1.00 EGFR (0.47) EGFRPTK2MAPTKDM4EMEN1
SCHEMBL16194697 0.87 EGFR (0.51) EGFRITK
SCHEMBL13859251 0.87 EGFR (0.49) EGFRMAPTKDM4EMEN1KMT2A
SCHEMBL16194698 0.87 EGFR (0.51) EGFRITK
SCHEMBL13859249 0.87 EGFR (0.49) EGFRMAPTKDM4EMEN1KMT2A
SCHEMBL13859421 0.86 EGFR (0.44) EGFRJAK3ITK
SCHEMBL13859423 0.86 EGFR (0.44) EGFRJAK3ITK
SCHEMBL13859519 0.86 EGFR (0.58) EGFRPTK2MAPTKDM4EMEN1
SCHEMBL13859520 0.86 EGFR (0.58) EGFRPTK2MAPTKDM4EMEN1
SCHEMBL13859468 0.86 EGFR (0.47) EGFRKMT2APRKCAJAK3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580427-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-28 — — US disclosed
US-20140323464-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-30 — — US disclosed
EP-2710007-A2 KINASE INHIBITORS The Regents of the University of California (US) 2014-03-26 — — EP disclosed
WO-2012158843-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-22 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140323464-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 EGFR 432/4885PTK2 139/4885MAPT 2557/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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